| CAS Number | 949347-72-2 |
| Catalog Number | AG01C3Q8 |
| Chemical Name | 1,3-dimethyl-6-(morpholin-4-yl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile |
| IUPAC Name | 1,3-dimethyl-4-morpholin-4-yl-2,6-dioxopyrimidine-5-carbonitrile |
| InChI | InChI=1S/C11H14N4O3/c1-13-9(15-3-5-18-6-4-15)8(7-12)10(16)14(2)11(13)17/h3-6H2,1-2H3 |
| InChI Key | KNKOXTZTXJCKLB-UHFFFAOYSA-N |
| MDL Number | MFCD10509146 |
| Molecular Formula | C11H14N4O3 |
| Molecular Weight | 250.2539 |
| SMILES | CN1C(=O)N(C)C(=O)C(C#N)=C1N1CCOCC1 |
| Synonyms | 1,3-dimethyl-6-(morpholin-4-yl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile,
949347-72-2,
ZINC12869994,
AKOS033752175,
MCULE-8850041227,
EN300-256485,
AB00986821-01,
Z205078246,
|
| Complexity | 470 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 250.107g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 250.258g/mol |
| Monoisotopic Mass | 250.107g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 76.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number